SCHEMBL5643297

SCHEMBL5643297

NCCc1nc(-c2cccc(N=C(N)c3cccs3)c2)c[nH]1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.53
NOS3 P29474 5/20 0.53
NOS2 P35228 4/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4703799 0.91 NOS1 (0.58) NOS1NOS3NOS2
SCHEMBL4703798 0.91 NOS1 (0.58) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL5641814 0.90 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL4698682 0.90 NOS1 (0.48) NOS1NOS3NOS2
SCHEMBL4698670 0.90 NOS1 (0.48) NOS1NOS3NOS2
SCHEMBL4698667 0.90 NOS1 (0.48) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL5639555 0.89 NOS1 (0.47) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL5639556 0.89 NOS1 (0.47) NOS1NOS3NOS2
SCHEMBL4701638 0.87 NOS1 (0.50) NOS1NOS3NOS2
SCHEMBL4701628 0.87 NOS1 (0.50) NOS1NOS3NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192975-B2 Arylimidazole derivatives, preparation and therapeutic used thereof SOCIETE DE CONSEILS DE RECHERCHES ET D''APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-20 US claimed